Geometry & MOs

Info

ID:	148629
PubChem CID:	53788297
Reduced:	NO3H9C10 (3)
Stoich.:	AB3C9D10 (3)
Weight, g/mol:	500.242356
ΔH_f, kcal/mol:	-292.7
Dipole, Da:	7.63
IP(EA), eV:	-8.9(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-butyl-5-[(3-butyl-2,5-dioxoimidazolidin-4-ylidene)methyl]imidazol-1-yl]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1CC(C(CNC1)NC(=O)C2=CC3=C(C=C2)NC=C3)OC(=O)C4=CC(=C(C(=C4)O)C(=O)C5=C(C=CC=C5O)C(=O)O)O

DOS

IR

Vibrations